SCHEMBL5199800

SCHEMBL5199800

CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)P(=O)(O)C(CC(=O)O)c1cccc(CN)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ MMP3 P08254 3/20 0.35
▸ CPB2 Q96IY4 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ CYSLTR2 Q9NS75 1/20 0.34
▸ CYSLTR1 Q9Y271 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ KLKB1 P03952 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6130847 0.86 ADAMTS4 (0.40) MMP2MMP7MMP9MMP8MMP13
SCHEMBL2350989 0.82 CPB2 (0.42) MMP2MMP7MMP9MMP8MMP13
SCHEMBL2351855 0.82 CPB2 (0.42) MMP2MMP7MMP9MMP8MMP13
SCHEMBL6130893 0.82 CPB2 (0.42) MMP2MMP7MMP9MMP8MMP13
SCHEMBL2349012 0.82 CPB2 (0.42) MMP2MMP7MMP9MMP8MMP13
SCHEMBL2357292 0.82 CPB2 (0.42) MMP2MMP7MMP9MMP8MMP13
SCHEMBL2356327 0.82 CPB2 (0.42) MMP2MMP7MMP9MMP8MMP13
SCHEMBL6130890 0.81 ALDH1A1 (0.43) MMP2MMP7MMP9MMP8MMP13
SCHEMBL2353899 0.79 CPB2 (0.41) MMP2MMP7MMP9MMP8MMP13
Trifluoroacetic Acid SCHEMBL4713282 0.78 CPB2 (0.39) MMP2MMP7MMP9MMP8MMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817041-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-15 — — EP disclosed
WO-2006041808-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-20 — — WO disclosed
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